2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C11H14N4O2 — CID 79821071

IUPAC2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3COCCO3)nc2n1
InChIInChI=1S/C11H14N4O2/c1-12-9-3-2-7-10(14-9)15-11(13-7)8-6-16-4-5-17-8/h2-3,8H,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyXSMSLQNASXLWAJ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.09
Rot. Bonds2

About 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821071) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821071
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(C3COCCO3)nc2n1
InChIInChI=1S/C11H14N4O2/c1-12-9-3-2-7-10(14-9)15-11(13-7)8-6-16-4-5-17-8/h2-3,8H,4-6H2,1H3,(H2,12,13,14,15)
InChIKeyXSMSLQNASXLWAJ-UHFFFAOYSA-N
XLogP1.09
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821071) is 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(C3COCCO3)nc2n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XSMSLQNASXLWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-12-9-3-2-7-10(14-9)15-11(13-7)8-6-16-4-5-17-8/h2-3,8H,4-6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 234.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).